(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione

C4H5NO4 — CID 126575623

IUPAC(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione
SMILESO=C1NC(=O)[C@H](O)[C@H]1O
InChIInChI=1S/C4H5NO4/c6-1-2(7)4(9)5-3(1)8/h1-2,6-7H,(H,5,8,9)/t1-,2-/m1/s1
InChIKeyMPTQLFFTNNKMRP-JCYAYHJZSA-N
MW131.09 g/mol
LogP-2.64
Rot. Bonds

About (3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione

(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione (PubChem CID 126575623) has the molecular formula C4H5NO4 and a molecular weight of 131.09 g/mol. Its IUPAC name is (3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione
PubChem CID126575623
Molecular FormulaC4H5NO4
Molecular Weight131.09 g/mol
Exact Mass131.02
IUPAC Name(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione
SMILESO=C1NC(=O)[C@H](O)[C@H]1O
InChIInChI=1S/C4H5NO4/c6-1-2(7)4(9)5-3(1)8/h1-2,6-7H,(H,5,8,9)/t1-,2-/m1/s1
InChIKeyMPTQLFFTNNKMRP-JCYAYHJZSA-N
XLogP-2.64
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-2.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione?
The IUPAC name of (3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione (CID 126575623) is (3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione?
The canonical SMILES for (3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione is O=C1NC(=O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione?
The InChIKey is MPTQLFFTNNKMRP-JCYAYHJZSA-N. The full InChI is InChI=1S/C4H5NO4/c6-1-2(7)4(9)5-3(1)8/h1-2,6-7H,(H,5,8,9)/t1-,2-/m1/s1.
What are the key properties of (3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione?
(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione has a molecular weight of 131.09 g/mol, XLogP of -2.64, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 126575623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).